#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1non n GLN 2 N 0.00 2.21 -0.07 3.17 7.27 -1.26 -2.53 117.38 126.17 1non n GLN 2 Ca 0.00 0.81 -0.11 0.00 0.07 0.00 0.00 57.00 57.77 1non n GLN 2 Cb 0.00 -2.65 -0.15 0.00 2.41 0.00 0.00 30.24 29.85 1non n GLN 2 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1non n LYS 3 N 6.28 0.67 -3.65 3.69 4.81 0.29 -4.95 118.16 125.31 1non n LYS 3 Ca 0.22 0.14 -0.02 0.00 -0.87 0.00 0.00 58.31 57.77 1non n LYS 3 Cb 0.30 -1.64 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 1non n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1non s ALA 4 N -2.54 -2.18 -0.06 3.14 0.00 -1.02 -4.96 121.76 114.14 1non s ALA 4 Ca -0.11 1.78 -0.19 0.00 0.00 0.00 0.00 51.96 53.45 1non s ALA 4 Cb 0.07 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 1non s ALA 4 CO 0.81 -0.17 0.51 0.08 0.00 0.00 0.00 175.76 177.00 1non s VAL 5 N -0.49 5.07 -0.19 0.00 1.01 -1.26 -0.17 120.40 124.37 1non s VAL 5 Ca 0.08 1.05 0.09 0.00 0.00 0.00 0.00 61.98 63.20 1non s VAL 5 Cb -0.03 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 1non s VAL 5 CO -0.12 0.39 0.27 1.33 0.00 0.00 0.00 175.10 176.97 1non n VAL 6 N 3.11 0.00 -3.65 2.92 0.24 0.13 -4.95 118.33 116.13 1non n VAL 6 Ca -0.08 -0.24 -0.08 0.00 -2.04 0.00 0.00 64.34 61.89 1non n VAL 6 Cb 0.51 0.61 -0.09 0.00 -1.47 0.00 0.00 33.84 33.40 1non n VAL 6 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1non s MET 7 N -2.27 0.32 0.67 7.34 -1.94 -0.90 -4.96 119.30 117.56 1non s MET 7 Ca -0.00 1.03 0.02 0.00 -1.71 0.00 0.00 55.69 55.03 1non s MET 7 Cb 0.06 0.33 0.11 0.00 2.01 0.00 0.00 34.83 37.34 1non s MET 7 CO 0.37 -0.25 0.92 0.16 -0.01 0.00 0.00 175.02 176.20 1non s ASP 8 N 2.61 4.63 0.26 3.03 3.84 -1.26 -0.57 116.67 129.20 1non s ASP 8 Ca -0.02 -0.48 -0.02 0.00 -0.00 0.00 0.00 52.55 52.04 1non s ASP 8 Cb -0.12 0.01 0.50 0.00 -1.38 0.00 0.00 42.92 41.92 1non s ASP 8 CO -0.13 -1.66 1.77 -0.08 -0.00 0.00 0.00 175.17 175.07 1non h GLU 9 N -0.28 0.61 -0.23 2.11 4.81 -1.90 -1.44 114.58 118.26 1non h GLU 9 Ca -0.35 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 58.70 1non h GLU 9 Cb 1.27 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1non h GLU 9 CO 0.41 0.40 -0.44 0.37 -0.73 0.00 0.00 179.01 179.02 1non h GLN 10 N 0.63 0.58 -0.33 1.92 4.15 -1.95 -1.83 115.11 118.28 1non h GLN 10 Ca 0.44 -0.31 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 1non h GLN 10 Cb 0.59 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1non h GLN 10 CO -0.34 0.91 -0.25 0.00 -1.93 0.00 0.00 178.83 177.21 1non h ALA 11 N 1.05 0.95 -0.40 3.38 0.00 -1.77 -1.00 119.26 121.47 1non h ALA 11 Ca 0.03 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1non h ALA 11 Cb 0.96 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1non h ALA 11 CO 0.09 0.61 -0.26 0.82 0.00 0.00 0.00 179.25 180.50 1non h ILE 12 N 0.57 1.27 0.14 0.00 2.04 -1.15 -1.38 117.51 119.00 1non h ILE 12 Ca 0.08 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1non h ILE 12 Cb 0.73 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1non h ILE 12 CO 0.06 0.47 -0.07 -0.09 0.00 0.00 0.00 178.15 178.52 1non h ARG 13 N 0.72 -0.19 0.00 2.37 2.43 -1.05 -1.56 114.38 117.11 1non h ARG 13 Ca 0.09 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1non h ARG 13 Cb 0.80 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1non h ARG 13 CO 0.07 0.14 -0.09 0.00 -1.51 0.00 0.00 179.97 178.57 1non h ARG 14 N -0.53 0.00 -0.08 0.20 3.08 -1.18 -1.12 114.38 114.75 1non h ARG 14 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1non h ARG 14 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1non h ARG 14 CO 0.03 0.09 -0.22 0.00 -1.07 0.00 0.00 179.97 178.81 1non h ALA 15 N 1.91 0.13 -0.26 0.04 0.00 -1.12 -1.96 119.26 117.99 1non h ALA 15 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1non h ALA 15 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1non h ALA 15 CO 0.01 0.10 -0.16 -0.07 0.00 0.00 0.00 179.25 179.12 1non h LEU 16 N -0.20 0.45 -0.07 0.00 3.38 -0.98 0.02 115.31 117.91 1non h LEU 16 Ca -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1non h LEU 16 Cb 0.83 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1non h LEU 16 CO 0.05 0.63 -0.05 0.74 0.09 0.00 0.00 178.44 179.90 1non h THR 17 N 0.42 1.36 -1.00 0.22 2.02 -1.23 -1.66 112.91 113.04 1non h THR 17 Ca 0.07 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.11 1non h THR 17 Cb 0.53 1.99 -0.05 0.00 -1.74 0.00 0.00 68.15 68.88 1non h THR 17 CO 0.03 0.32 0.66 -0.09 0.37 0.00 0.00 175.52 176.81 1non h ARG 18 N -0.26 1.28 -0.61 6.66 1.12 -1.17 -2.22 114.38 119.19 1non h ARG 18 Ca 0.01 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 1non h ARG 18 Cb 0.54 -0.29 -0.03 0.00 -0.01 0.00 0.00 29.97 30.19 1non h ARG 18 CO 0.01 0.85 0.30 0.82 -3.11 0.00 0.00 179.97 178.84 1non h ILE 19 N 1.32 1.21 -0.90 1.20 2.04 -0.89 -0.37 117.51 121.12 1non h ILE 19 Ca 0.38 -0.58 0.07 0.00 1.00 0.00 0.00 64.86 65.74 1non h ILE 19 Cb -0.10 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1non h ILE 19 CO -0.10 0.24 0.58 0.00 0.00 0.00 0.00 178.15 178.88 1non h ALA 20 N 1.13 1.55 -0.13 1.87 0.00 -0.72 0.17 119.26 123.13 1non h ALA 20 Ca 0.21 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1non h ALA 20 Cb 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1non h ALA 20 CO -0.03 0.30 -0.68 0.45 0.00 0.00 0.00 179.25 179.29 1non h HIS 21 N 0.99 0.69 -0.50 0.00 3.86 -0.97 -2.63 115.15 116.59 1non h HIS 21 Ca 0.40 -0.29 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 1non h HIS 21 Cb 0.26 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1non h HIS 21 CO -0.00 1.05 -0.04 0.93 0.86 0.00 0.00 177.93 180.73 1non h GLU 22 N 0.37 0.86 0.04 2.45 5.08 0.43 -1.55 114.58 122.27 1non h GLU 22 Ca -0.02 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1non h GLU 22 Cb 1.26 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1non h GLU 22 CO 0.12 0.88 -0.02 0.82 -1.00 0.00 0.00 179.01 179.81 1non h ILE 23 N 0.79 1.06 -0.54 3.13 2.04 -0.66 -2.02 117.51 121.32 1non h ILE 23 Ca 0.14 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1non h ILE 23 Cb 0.52 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1non h ILE 23 CO 0.03 0.09 0.28 0.40 0.00 0.00 0.00 178.15 178.95 1non h ILE 24 N -0.21 1.19 0.03 -0.67 2.04 -1.43 -2.75 117.51 115.71 1non h ILE 24 Ca -0.01 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1non h ILE 24 Cb 0.19 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1non h ILE 24 CO 0.01 0.20 -0.15 -0.08 0.00 0.00 0.00 178.15 178.14 1non h GLU 25 N 0.72 -0.25 0.00 2.37 4.81 -1.16 0.21 114.58 121.29 1non h GLU 25 Ca 0.19 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1non h GLU 25 Cb 0.07 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1non h GLU 25 CO -0.03 -0.16 -0.16 0.00 -0.73 0.00 0.00 179.01 177.93 1non h ARG 26 N -0.26 0.00 -0.02 1.92 3.08 -1.37 -2.63 114.38 115.10 1non h ARG 26 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1non h ARG 26 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1non h ARG 26 CO -0.12 0.16 -0.23 0.09 -1.07 0.00 0.00 179.97 178.80 1non n ASN 27 N -3.36 2.19 -3.75 7.04 3.02 -1.02 -4.97 115.26 114.40 1non n ASN 27 Ca -0.00 -1.61 -0.24 0.00 -0.03 0.00 0.00 54.58 52.70 1non n ASN 27 Cb 0.37 0.21 0.02 0.00 -0.61 0.00 0.00 39.78 39.77 1non n ASN 27 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1non n LYS 28 N 0.41 -3.61 0.00 3.52 5.02 0.68 -4.74 118.16 119.43 1non n LYS 28 Ca 0.12 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1non n LYS 28 Cb 0.49 -4.82 0.00 0.00 -0.02 0.00 0.00 35.03 30.68 1non n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1non n GLY 29 N -1.70 1.42 0.06 0.72 0.00 -0.75 -4.89 105.19 100.05 1non n GLY 29 Ca -0.25 -2.26 0.06 0.00 0.00 0.00 0.00 46.02 43.56 1non n GLY 29 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1non n ILE 30 N -1.03 0.52 -1.65 -0.61 -0.00 -1.26 -4.72 119.36 110.62 1non n ILE 30 Ca 0.00 -0.60 -0.52 0.00 -0.00 0.00 0.00 62.75 61.63 1non n ILE 30 Cb 0.00 -0.25 -0.06 0.00 -0.00 0.00 0.00 39.64 39.33 1non n ILE 30 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1non n ASP 31 N -2.51 2.30 0.00 4.38 9.92 -1.26 -0.79 116.55 128.59 1non n ASP 31 Ca -0.09 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.26 1non n ASP 31 Cb 0.70 -1.24 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 1non n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1non n GLY 32 N 3.35 1.30 3.80 0.44 0.00 -1.26 -4.93 105.19 107.90 1non n GLY 32 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1non n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1non s VAL 34 N -1.22 0.08 -0.19 0.00 1.01 -0.08 -4.09 120.40 115.91 1non s VAL 34 Ca 0.34 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 62.39 1non s VAL 34 Cb -0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1non s VAL 34 CO 0.21 0.16 0.26 -0.76 0.00 0.00 0.00 175.10 174.97 1non s LEU 35 N 1.45 4.19 -0.31 3.92 1.43 0.12 0.46 118.68 129.93 1non s LEU 35 Ca -0.04 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1non s LEU 35 Cb -0.13 -2.31 0.09 0.00 0.03 0.00 0.00 46.19 43.88 1non s LEU 35 CO -0.03 0.06 0.02 -0.69 0.23 0.00 0.00 176.35 175.94 1non s VAL 36 N 0.77 2.08 0.30 -1.59 1.01 -0.04 -0.88 120.40 122.04 1non s VAL 36 Ca 0.14 -2.04 -0.28 0.00 0.00 0.00 0.00 61.98 59.80 1non s VAL 36 Cb -0.13 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.70 1non s VAL 36 CO 0.04 -0.46 0.98 -0.83 0.00 0.00 0.00 175.10 174.83 1non s GLY 37 N 1.04 2.94 -0.07 4.51 0.00 -0.83 -0.86 107.32 114.05 1non s GLY 37 Ca 0.06 0.63 -0.14 0.00 0.00 0.00 0.00 44.72 45.27 1non s GLY 37 CO -0.09 1.14 0.37 -0.42 0.00 0.00 0.00 173.10 174.11 1non s ILE 38 N -1.40 5.16 0.00 0.90 1.01 -0.37 0.01 121.20 126.50 1non s ILE 38 Ca 0.47 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1non s ILE 38 Cb -0.24 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1non s ILE 38 CO 0.30 0.50 0.00 1.17 0.00 0.00 0.00 174.94 176.90 1non n LYS 39 N 2.55 0.00 0.00 2.79 4.81 0.39 -2.23 118.16 126.47 1non n LYS 39 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 1non n LYS 39 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1non n LYS 39 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1non n THR 40 N 0.00 0.00 -0.24 3.15 -1.04 -1.26 -4.27 114.28 110.62 1non n THR 40 Ca 0.00 0.00 0.23 0.00 -2.04 0.00 0.00 64.05 62.24 1non n THR 40 Cb 0.00 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.10 1non n THR 40 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1non h ARG 41 N 0.00 0.25 0.00 -2.82 3.08 -1.99 0.14 114.38 113.04 1non h ARG 41 Ca 0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1non h ARG 41 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1non h ARG 41 CO 0.00 0.17 -0.21 0.78 -1.07 0.00 0.00 179.97 179.63 1non h GLY 42 N 0.26 0.00 0.94 0.04 0.00 -1.63 -2.37 103.07 100.31 1non h GLY 42 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.70 1non h GLY 42 CO -0.14 0.00 -0.26 -2.22 0.00 0.00 0.00 176.54 173.92 1non h ILE 43 N 0.00 1.30 -0.56 2.60 2.04 -0.53 -1.51 117.51 120.86 1non h ILE 43 Ca -0.00 -1.42 -0.09 0.00 1.00 0.00 0.00 64.86 64.34 1non h ILE 43 Cb 0.50 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1non h ILE 43 CO 0.03 0.45 -0.02 1.88 0.00 0.00 0.00 178.15 180.49 1non h TYR 44 N 0.40 1.10 -0.58 1.37 0.05 -1.49 -1.39 116.97 116.42 1non h TYR 44 Ca 0.05 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.61 1non h TYR 44 Cb 0.82 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 1non h TYR 44 CO 0.07 0.99 0.28 -0.07 -1.05 0.00 0.00 178.16 178.38 1non h LEU 45 N 0.89 0.73 -0.55 3.88 3.38 -1.36 0.04 115.31 122.32 1non h LEU 45 Ca 0.16 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1non h LEU 45 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1non h LEU 45 CO 0.03 0.62 -0.31 0.00 0.09 0.00 0.00 178.44 178.88 1non h ALA 46 N 1.49 0.74 -0.50 1.53 0.00 -0.82 -2.02 119.26 119.69 1non h ALA 46 Ca 0.20 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1non h ALA 46 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1non h ALA 46 CO -0.03 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.00 1non h ARG 47 N 0.70 0.80 -0.65 0.00 3.08 -0.38 0.74 114.38 118.68 1non h ARG 47 Ca 0.08 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1non h ARG 47 Cb 0.86 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1non h ARG 47 CO 0.08 0.78 0.25 0.00 -1.07 0.00 0.00 179.97 180.00 1non h ARG 48 N 0.69 0.97 -0.51 0.04 3.08 -0.93 -1.50 114.38 116.22 1non h ARG 48 Ca 0.16 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1non h ARG 48 Cb 0.34 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1non h ARG 48 CO 0.00 0.82 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.54 1non h LEU 49 N 0.91 0.96 -0.79 3.04 3.38 -1.15 -1.15 115.31 120.51 1non h LEU 49 Ca 0.21 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1non h LEU 49 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1non h LEU 49 CO -0.02 1.08 0.49 0.00 0.09 0.00 0.00 178.44 180.09 1non h ALA 50 N 1.00 1.00 -0.21 1.53 0.00 -0.57 0.75 119.26 122.76 1non h ALA 50 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1non h ALA 50 Cb 0.67 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1non h ALA 50 CO 0.05 0.45 -0.04 0.93 0.00 0.00 0.00 179.25 180.64 1non h GLU 51 N 1.08 0.40 -0.59 0.00 5.08 -1.04 -1.04 114.58 118.47 1non h GLU 51 Ca 0.28 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1non h GLU 51 Cb -0.07 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1non h GLU 51 CO -0.06 0.63 0.38 -0.09 -1.00 0.00 0.00 179.01 178.88 1non h ARG 52 N 0.14 0.74 -0.56 2.33 9.65 -0.93 0.35 114.38 126.11 1non h ARG 52 Ca 0.06 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1non h ARG 52 Cb 0.48 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 1non h ARG 52 CO 0.02 0.49 0.29 0.82 2.80 0.00 0.00 179.97 184.39 1non h ILE 53 N 0.76 1.19 -0.48 1.20 2.04 -0.76 -0.79 117.51 120.68 1non h ILE 53 Ca 0.23 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1non h ILE 53 Cb -0.04 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1non h ILE 53 CO -0.07 0.21 0.31 -0.08 0.00 0.00 0.00 178.15 178.52 1non h GLU 54 N 0.75 0.62 -0.62 2.37 4.81 -0.63 0.23 114.58 122.11 1non h GLU 54 Ca 0.20 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1non h GLU 54 Cb 0.07 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1non h GLU 54 CO -0.03 0.41 0.41 0.37 -0.73 0.00 0.00 179.01 179.44 1non h GLN 55 N 0.63 0.75 0.02 1.92 -0.00 -0.53 0.26 115.11 118.15 1non h GLN 55 Ca 0.18 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.78 1non h GLN 55 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.25 1non h GLN 55 CO -0.05 0.49 -0.01 0.82 0.00 0.00 0.00 178.83 180.09 1non h ILE 56 N 0.77 1.36 0.00 2.39 2.04 -0.17 -3.38 117.51 120.51 1non h ILE 56 Ca 0.24 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1non h ILE 56 Cb 0.02 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1non h ILE 56 CO -0.06 0.44 -0.48 -0.62 0.00 0.00 0.00 178.15 177.42 1non n GLU 57 N -4.69 0.08 -0.98 2.37 -0.58 0.71 -4.95 120.64 112.60 1non n GLU 57 Ca -0.08 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1non n GLU 57 Cb 0.36 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1non n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1non n GLY 58 N 1.46 0.49 2.88 0.62 0.00 0.89 -4.99 105.19 106.53 1non n GLY 58 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1non n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1non s ALA 59 N -2.14 0.05 0.76 4.61 0.00 -1.24 -5.04 121.76 118.76 1non s ALA 59 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 1non s ALA 59 Cb 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.15 1non s ALA 59 CO 0.00 0.01 1.14 -1.54 0.00 0.00 0.00 175.76 175.36 1non s SER 60 N 0.02 4.93 0.03 0.00 1.04 -1.26 -4.01 113.70 114.45 1non s SER 60 Ca -0.00 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.42 1non s SER 60 Cb -0.01 -1.56 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 1non s SER 60 CO -0.00 -1.64 -0.20 -0.69 0.98 0.00 0.00 173.24 171.69 1non s VAL 61 N -3.47 1.58 0.19 5.02 1.01 -1.26 -5.00 120.40 118.47 1non s VAL 61 Ca 0.60 -1.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1non s VAL 61 Cb -0.11 -1.37 -0.10 0.00 0.00 0.00 0.00 36.38 34.80 1non s VAL 61 CO 0.50 0.24 1.52 -2.84 0.00 0.00 0.00 175.10 174.52 1non s PRO 62 N -1.02 4.23 -0.19 2.72 0.02 -1.26 -4.88 135.00 134.64 1non s PRO 62 Ca 0.07 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.44 1non s PRO 62 Cb -0.08 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.33 1non s PRO 62 CO 0.01 -0.54 -0.13 0.08 -0.33 0.00 0.00 177.00 176.09 1non s VAL 63 N 0.75 1.73 0.47 3.83 1.01 -1.26 -0.71 120.40 126.22 1non s VAL 63 Ca 0.66 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1non s VAL 63 Cb -0.43 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1non s VAL 63 CO 0.35 0.29 0.28 -0.83 0.00 0.00 0.00 175.10 175.19 1non s GLY 64 N 1.38 2.38 -0.00 4.51 0.00 -0.06 -5.00 107.32 110.52 1non s GLY 64 Ca 0.01 -1.62 0.02 0.00 0.00 0.00 0.00 44.72 43.13 1non s GLY 64 CO -0.09 -1.91 -0.07 -1.83 0.00 0.00 0.00 173.10 169.20 1non s GLU 65 N -4.07 0.52 -0.13 2.90 -1.05 -1.24 -1.97 118.70 113.66 1non s GLU 65 Ca 0.37 -0.25 0.02 0.00 -0.15 0.00 0.00 54.97 54.95 1non s GLU 65 Cb 0.00 -0.50 -0.00 0.00 -0.44 0.00 0.00 34.13 33.19 1non s GLU 65 CO 0.21 0.14 -0.18 -1.17 0.95 0.00 0.00 175.26 175.21 1non s LEU 66 N -0.20 2.36 -0.58 1.83 2.96 0.10 -3.93 118.68 121.22 1non s LEU 66 Ca 0.02 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.35 1non s LEU 66 Cb -0.03 -1.51 0.15 0.00 0.50 0.00 0.00 46.19 45.30 1non s LEU 66 CO -0.00 0.12 0.45 -0.62 -1.32 0.00 0.00 176.35 174.98 1non s ASP 67 N 0.60 5.81 0.40 3.68 -1.08 -1.26 0.15 116.67 124.96 1non s ASP 67 Ca -0.10 -2.27 0.07 0.00 -0.52 0.00 0.00 52.55 49.72 1non s ASP 67 Cb -0.16 -2.02 0.81 0.00 -1.46 0.00 0.00 42.92 40.09 1non s ASP 67 CO 0.03 -0.60 2.03 0.40 0.52 0.00 0.00 175.17 177.55 1non h ILE 68 N 5.68 1.12 -0.00 4.11 2.04 -1.96 -2.06 117.51 126.44 1non h ILE 68 Ca -0.11 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1non h ILE 68 Cb 1.04 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1non h ILE 68 CO 0.81 0.13 0.00 0.71 0.00 0.00 0.00 178.15 179.81 1non h THR 69 N 0.54 1.13 -0.79 -0.27 1.35 -1.94 -2.67 112.91 110.27 1non h THR 69 Ca 0.14 -0.38 0.06 0.00 -0.55 0.00 0.00 66.41 65.68 1non h THR 69 Cb 0.01 1.38 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 1non h THR 69 CO -0.02 0.10 0.51 -0.07 -0.25 0.00 0.00 175.52 175.79 1non h LEU 70 N -0.15 0.75 0.00 3.87 3.38 -1.91 0.25 115.31 121.49 1non h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1non h LEU 70 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1non h LEU 70 CO -0.00 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.01 1non n TYR 71 N -4.48 0.00 -0.19 1.13 9.36 -0.80 -5.12 117.16 117.06 1non n TYR 71 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1non n TYR 71 Cb 0.22 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.65 1non n TYR 71 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1non n ARG 72 N -1.28 0.00 -1.52 2.98 1.74 0.88 -5.09 116.66 114.38 1non n ARG 72 Ca 0.03 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1non n ARG 72 Cb 0.06 -3.28 0.00 0.00 -1.02 0.00 0.00 32.46 28.22 1non n ARG 72 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1non n VAL 91 N -1.35 -0.79 -0.70 1.55 0.31 -1.25 -4.98 118.33 111.10 1non n VAL 91 Ca 0.00 0.16 -0.32 0.00 -0.01 0.00 0.00 64.34 64.17 1non n VAL 91 Cb 0.00 -1.10 0.16 0.00 -0.91 0.00 0.00 33.84 31.99 1non n VAL 91 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1non n PRO 92 N 0.69 -0.95 -3.74 5.55 -0.02 -1.26 -3.63 135.00 131.64 1non n PRO 92 Ca -0.00 -0.24 -0.03 0.00 -2.02 0.00 0.00 63.50 61.21 1non n PRO 92 Cb 0.19 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 1non n PRO 92 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1non s PHE 93 N -2.40 -0.11 0.72 6.00 -0.71 -1.26 -4.83 117.98 115.40 1non s PHE 93 Ca 0.60 -0.17 -0.13 0.00 -1.04 0.00 0.00 56.93 56.19 1non s PHE 93 Cb -0.20 0.63 0.03 0.00 -1.21 0.00 0.00 43.02 42.27 1non s PHE 93 CO 0.65 -0.74 1.13 -2.14 -1.34 0.00 0.00 175.22 172.78 1non s PRO 94 N -3.12 2.40 0.25 1.99 0.02 -1.26 -4.96 135.00 130.33 1non s PRO 94 Ca 0.13 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.56 1non s PRO 94 Cb -0.00 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1non s PRO 94 CO 0.01 -1.57 0.00 0.28 -0.33 0.00 0.00 177.00 175.40 1non n VAL 95 N -2.89 0.00 -1.56 3.83 0.31 -1.26 -4.99 118.33 111.77 1non n VAL 95 Ca 0.11 0.00 -0.59 0.00 -0.01 0.00 0.00 64.34 63.85 1non n VAL 95 Cb 0.52 -0.23 -0.08 0.00 -0.91 0.00 0.00 33.84 33.14 1non n VAL 95 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1non n THR 96 N -3.19 0.01 -1.72 2.52 -1.04 -1.25 0.08 114.28 109.69 1non n THR 96 Ca 0.00 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1non n THR 96 Cb 0.00 -0.27 -0.05 0.00 -1.82 0.00 0.00 70.33 68.19 1non n THR 96 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1non n GLU 97 N 2.19 -1.54 -3.96 -2.82 4.07 0.12 -4.85 120.64 113.84 1non n GLU 97 Ca 0.21 0.83 -0.22 0.00 -0.06 0.00 0.00 57.16 57.92 1non n GLU 97 Cb 0.08 -5.20 -0.04 0.00 -0.06 0.00 0.00 31.44 26.22 1non n GLU 97 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1non s ARG 98 N -3.77 2.80 -0.73 5.31 1.81 0.11 -4.40 118.95 120.08 1non s ARG 98 Ca 0.00 -1.20 -0.13 0.00 -1.72 0.00 0.00 55.73 52.69 1non s ARG 98 Cb 0.00 -2.50 0.19 0.00 -0.45 0.00 0.00 34.95 32.19 1non s ARG 98 CO 0.00 0.24 0.65 1.21 -0.68 0.00 0.00 175.30 176.72 1non s ASN 99 N -3.92 6.39 -0.33 0.23 2.47 0.31 0.05 114.94 120.15 1non s ASN 99 Ca 0.37 -2.50 -0.25 0.00 0.42 0.00 0.00 52.86 50.90 1non s ASN 99 Cb -0.07 -2.15 0.01 0.00 -1.45 0.00 0.00 41.25 37.59 1non s ASN 99 CO 0.26 -0.61 0.88 -0.69 -3.72 0.00 0.00 177.10 173.22 1non s VAL 100 N 0.47 4.68 -0.44 -5.21 1.01 -0.41 -0.90 120.40 119.60 1non s VAL 100 Ca 0.14 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.27 1non s VAL 100 Cb -0.16 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.03 1non s VAL 100 CO -0.06 -0.38 0.33 -0.63 0.00 0.00 0.00 175.10 174.37 1non s ILE 101 N 3.23 4.88 0.32 2.22 1.01 0.17 -0.49 121.20 132.55 1non s ILE 101 Ca 0.36 -1.12 -0.28 0.00 0.00 0.00 0.00 60.65 59.62 1non s ILE 101 Cb -0.13 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1non s ILE 101 CO 0.15 -0.51 1.11 -0.76 0.00 0.00 0.00 174.94 174.92 1non s LEU 102 N 1.57 4.41 -0.09 2.97 1.43 0.16 -0.86 118.68 128.27 1non s LEU 102 Ca 0.04 2.25 0.02 0.00 -1.03 0.00 0.00 54.13 55.41 1non s LEU 102 Cb -0.23 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.20 1non s LEU 102 CO 0.05 -0.31 -0.15 -0.69 0.23 0.00 0.00 176.35 175.49 1non s VAL 103 N -1.30 1.39 0.08 -1.59 1.01 -0.04 -1.12 120.40 118.82 1non s VAL 103 Ca 0.49 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1non s VAL 103 Cb -0.30 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1non s VAL 103 CO 0.38 0.42 -0.02 -0.62 0.00 0.00 0.00 175.10 175.26 1non s ASP 104 N 0.77 0.65 -0.02 3.32 3.68 -0.51 -1.24 116.67 123.32 1non s ASP 104 Ca -0.12 -1.04 -0.16 0.00 2.13 0.00 0.00 52.55 53.36 1non s ASP 104 Cb -0.16 0.19 -0.33 0.00 -1.45 0.00 0.00 42.92 41.17 1non s ASP 104 CO 0.02 -0.59 0.86 -2.24 0.13 0.00 0.00 175.17 173.35 1non h ASP 105 N 3.04 0.67 -3.56 -0.34 2.03 -1.86 -2.97 116.42 113.43 1non h ASP 105 Ca -0.35 -0.92 -0.40 0.00 -0.73 0.00 0.00 57.03 54.63 1non h ASP 105 Cb 1.16 -0.22 -0.33 0.00 -0.83 0.00 0.00 39.33 39.11 1non h ASP 105 CO 0.64 1.65 -0.77 -0.69 -1.03 0.00 0.00 179.24 179.04 1non s VAL 106 N -2.54 0.55 -0.21 4.15 1.01 -1.26 -1.39 120.40 120.70 1non s VAL 106 Ca -0.13 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1non s VAL 106 Cb 0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1non s VAL 106 CO 0.88 0.21 0.38 -0.22 0.00 0.00 0.00 175.10 176.35 1non s LEU 107 N 0.69 4.14 0.00 3.92 2.96 0.27 -4.98 118.68 125.68 1non s LEU 107 Ca -0.09 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1non s LEU 107 Cb -0.12 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1non s LEU 107 CO 0.00 -0.08 0.00 0.33 -1.32 0.00 0.00 176.35 175.28 1non n PHE 108 N 4.56 0.00 0.20 5.38 -0.00 -1.26 -2.04 117.46 124.30 1non n PHE 108 Ca -0.09 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.45 1non n PHE 108 Cb 0.51 0.00 0.29 0.00 -0.00 0.00 0.00 39.48 40.28 1non n PHE 108 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 1non h THR 109 N 0.00 0.45 0.00 -2.13 1.35 -1.81 -3.05 112.91 107.72 1non h THR 109 Ca 0.00 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1non h THR 109 Cb 0.00 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1non h THR 109 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1non n GLY 110 N 0.68 2.32 0.26 5.82 0.00 -1.26 0.49 105.19 113.50 1non n GLY 110 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1non n GLY 110 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1non h ARG 111 N 2.48 0.70 0.00 1.61 3.08 -1.94 -1.61 114.38 118.70 1non h ARG 111 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1non h ARG 111 Cb 0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1non h ARG 111 CO 0.00 0.46 -0.06 1.15 -1.07 0.00 0.00 179.97 180.45 1non h THR 112 N 0.72 0.97 -0.16 2.04 2.02 -2.01 -2.39 112.91 114.11 1non h THR 112 Ca 0.29 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 67.09 1non h THR 112 Cb 0.15 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1non h THR 112 CO -0.16 0.06 -0.58 0.58 0.37 0.00 0.00 175.52 175.78 1non h VAL 113 N 0.00 1.33 -0.46 3.16 2.07 -1.71 -2.40 116.25 118.25 1non h VAL 113 Ca -0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1non h VAL 113 Cb 0.12 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1non h VAL 113 CO 0.01 0.57 0.29 -0.09 0.02 0.00 0.00 177.57 178.37 1non h ARG 114 N 0.38 0.61 -0.96 1.57 2.43 -1.29 -0.46 114.38 116.66 1non h ARG 114 Ca -0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1non h ARG 114 Cb 1.13 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 1non h ARG 114 CO 0.11 0.42 0.64 0.00 -1.51 0.00 0.00 179.97 179.63 1non h ALA 115 N 1.15 1.23 -0.27 2.80 0.00 -1.47 -1.32 119.26 121.37 1non h ALA 115 Ca 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1non h ALA 115 Cb -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1non h ALA 115 CO -0.03 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 1non h ALA 116 N 1.36 1.43 -0.33 0.00 0.00 -0.82 -1.69 119.26 119.21 1non h ALA 116 Ca 0.36 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1non h ALA 116 Cb -0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1non h ALA 116 CO -0.08 0.40 -0.48 0.52 0.00 0.00 0.00 179.25 179.61 1non h MET 117 N 0.40 0.91 -0.63 0.00 2.07 -0.09 -2.06 114.93 115.53 1non h MET 117 Ca 0.09 -0.54 -0.02 0.00 -2.07 0.00 0.00 59.70 57.16 1non h MET 117 Cb 0.34 0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 1non h MET 117 CO 0.01 1.18 0.33 -0.44 1.07 0.00 0.00 176.91 179.07 1non h ASP 118 N 0.71 0.81 -0.24 1.22 3.32 -0.90 -2.07 116.42 119.28 1non h ASP 118 Ca 0.03 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1non h ASP 118 Cb 1.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1non h ASP 118 CO 0.11 0.69 0.07 0.00 -1.72 0.00 0.00 179.24 178.39 1non h ALA 119 N 1.15 0.31 -0.75 3.45 0.00 -1.24 -2.16 119.26 120.03 1non h ALA 119 Ca 0.22 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1non h ALA 119 Cb 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1non h ALA 119 CO -0.03 -0.05 0.47 0.28 0.00 0.00 0.00 179.25 179.92 1non h VAL 120 N 0.22 1.10 -0.02 0.00 2.07 -1.22 -1.07 116.25 117.33 1non h VAL 120 Ca 0.08 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1non h VAL 120 Cb 0.25 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1non h VAL 120 CO -0.00 0.17 0.00 0.23 0.02 0.00 0.00 177.57 177.99 1non n MET 121 N -4.64 1.15 0.05 1.57 2.00 -0.79 -2.25 117.12 114.21 1non n MET 121 Ca 0.09 -0.22 -0.13 0.00 0.00 0.00 0.00 57.70 57.43 1non n MET 121 Cb 0.09 -1.40 -0.14 0.00 0.00 0.00 0.00 33.22 31.78 1non n MET 121 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1non h ASP 122 N 0.48 0.24 1.17 7.83 3.58 -0.52 -3.29 116.42 125.91 1non h ASP 122 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1non h ASP 122 Cb 0.10 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1non h ASP 122 CO 0.00 1.28 -0.18 0.18 -2.88 0.00 0.00 179.24 177.64 1non n LEU 123 N -3.36 0.60 0.00 2.28 4.77 -0.95 -5.02 117.00 115.32 1non n LEU 123 Ca -0.13 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1non n LEU 123 Cb 1.02 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1non n LEU 123 CO 0.49 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1non n GLY 124 N 1.37 -0.87 2.91 -0.72 0.00 -1.14 -4.73 105.19 102.01 1non n GLY 124 Ca 0.05 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1non n GLY 124 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1non s ARG 125 N -1.25 1.60 0.55 1.61 3.00 -1.26 -4.25 118.95 118.96 1non s ARG 125 Ca 0.00 -2.16 -0.16 0.00 -1.00 0.00 0.00 55.73 52.41 1non s ARG 125 Cb 0.00 -3.01 -0.06 0.00 0.00 0.00 0.00 34.95 31.88 1non s ARG 125 CO 0.00 -1.05 1.02 -1.25 0.00 0.00 0.00 175.30 174.02 1non s PRO 126 N 0.35 3.64 0.34 5.12 0.04 -1.25 0.15 135.00 143.39 1non s PRO 126 Ca 0.15 1.11 0.13 0.00 0.04 0.00 0.00 61.00 62.42 1non s PRO 126 Cb -0.23 -2.08 0.62 0.00 0.04 0.00 0.00 34.50 32.84 1non s PRO 126 CO -0.05 -0.54 1.75 0.00 0.04 0.00 0.00 177.00 178.21 1non h ALA 127 N 0.75 1.21 -1.65 8.56 0.00 -0.59 -3.43 119.26 124.11 1non h ALA 127 Ca -0.47 -0.41 0.11 0.00 0.00 0.00 0.00 54.91 54.14 1non h ALA 127 Cb 1.20 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 1non h ALA 127 CO 0.59 0.56 0.58 -0.98 0.00 0.00 0.00 179.25 180.00 1non s ARG 128 N -3.94 0.58 -0.12 0.00 1.70 -1.11 -5.01 118.95 111.05 1non s ARG 128 Ca -0.02 0.04 0.03 0.00 -0.47 0.00 0.00 55.73 55.31 1non s ARG 128 Cb 0.13 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1non s ARG 128 CO 0.73 -0.20 -0.20 0.42 -1.08 0.00 0.00 175.30 174.97 1non s ILE 129 N -1.55 1.87 0.32 4.99 1.01 -1.26 -1.28 121.20 125.31 1non s ILE 129 Ca 0.01 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 59.88 1non s ILE 129 Cb -0.01 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.75 1non s ILE 129 CO -0.01 0.51 -0.07 -1.10 0.00 0.00 0.00 174.94 174.27 1non s GLN 130 N 0.78 1.91 -0.04 2.79 -0.21 0.36 -4.99 119.66 120.26 1non s GLN 130 Ca -0.09 -1.80 0.01 0.00 0.02 0.00 0.00 55.36 53.50 1non s GLN 130 Cb -0.16 -1.83 0.02 0.00 1.00 0.00 0.00 33.01 32.04 1non s GLN 130 CO 0.00 0.19 -0.06 -1.17 -2.12 0.00 0.00 175.29 172.13 1non s LEU 131 N -3.63 1.44 -0.06 2.90 2.96 -1.26 0.35 118.68 121.38 1non s LEU 131 Ca 0.33 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 1non s LEU 131 Cb -0.01 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.19 1non s LEU 131 CO 0.17 -0.03 -0.14 0.00 -1.32 0.00 0.00 176.35 175.04 1non s ALA 132 N 0.77 1.35 0.06 5.97 0.00 -0.28 0.04 121.76 129.67 1non s ALA 132 Ca -0.11 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1non s ALA 132 Cb -0.14 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1non s ALA 132 CO 0.01 0.15 -0.11 0.14 0.00 0.00 0.00 175.76 175.95 1non s VAL 133 N 0.54 0.82 0.09 0.00 -7.23 -0.57 -1.43 120.40 112.63 1non s VAL 133 Ca -0.13 -1.23 -0.15 0.00 -1.81 0.00 0.00 61.98 58.65 1non s VAL 133 Cb -0.15 -0.88 -0.09 0.00 0.56 0.00 0.00 36.38 35.82 1non s VAL 133 CO 0.04 -0.34 1.41 0.25 -0.31 0.00 0.00 175.10 176.15 1non h LEU 134 N 4.31 0.72 -7.79 1.32 5.85 -1.28 0.83 115.31 119.27 1non h LEU 134 Ca -0.38 -0.48 -0.27 0.00 0.84 0.00 0.00 57.88 57.60 1non h LEU 134 Cb 1.20 -0.20 -0.28 0.00 0.37 0.00 0.00 40.66 41.74 1non h LEU 134 CO 0.42 1.05 -0.73 0.68 -0.34 0.00 0.00 178.44 179.51 1non s VAL 135 N -4.34 0.15 -0.32 1.05 -7.23 -0.49 -0.59 120.40 108.63 1non s VAL 135 Ca -0.12 -0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1non s VAL 135 Cb 0.08 -0.14 0.03 0.00 0.56 0.00 0.00 36.38 36.92 1non s VAL 135 CO 0.82 0.05 0.09 -0.62 -0.31 0.00 0.00 175.10 175.13 1non s ASP 136 N -0.00 5.21 -0.15 4.85 -1.08 -0.75 -0.56 116.67 124.18 1non s ASP 136 Ca 0.00 -1.05 0.15 0.00 -0.52 0.00 0.00 52.55 51.13 1non s ASP 136 Cb -0.01 -1.85 0.70 0.00 -1.46 0.00 0.00 42.92 40.29 1non s ASP 136 CO -0.00 -0.29 1.59 -2.11 0.52 0.00 0.00 175.17 174.88 1non n ARG 137 N 4.80 3.94 -0.04 4.34 1.85 -0.87 -1.04 116.66 129.65 1non n ARG 137 Ca -0.13 -2.71 0.01 0.00 -1.00 0.00 0.00 57.85 54.01 1non n ARG 137 Cb 0.45 -2.00 -0.00 0.00 -1.05 0.00 0.00 32.46 29.86 1non n ARG 137 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1non n GLY 138 N 0.86 -1.25 2.08 2.89 0.00 -1.26 -4.19 105.19 104.32 1non n GLY 138 Ca 0.24 -1.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.10 1non n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1non n HIS 139 N -1.57 -0.48 -1.67 1.61 -0.00 -1.26 -4.57 115.22 107.27 1non n HIS 139 Ca 0.00 0.12 -0.35 0.00 -0.00 0.00 0.00 57.72 57.49 1non n HIS 139 Cb 0.02 -1.90 0.07 0.00 -0.00 0.00 0.00 29.99 28.17 1non n HIS 139 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1non s ARG 140 N -4.75 2.49 0.00 -0.41 1.70 -1.15 -4.11 118.95 112.71 1non s ARG 140 Ca 0.07 1.82 0.00 0.00 -0.47 0.00 0.00 55.73 57.15 1non s ARG 140 Cb -0.03 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.48 1non s ARG 140 CO 0.09 -1.58 0.85 0.39 -1.08 0.00 0.00 175.30 173.96 1non n GLU 141 N -2.22 2.05 -3.90 3.89 1.02 0.18 -4.95 120.64 116.71 1non n GLU 141 Ca 0.14 -1.20 -0.09 0.00 -0.02 0.00 0.00 57.16 55.99 1non n GLU 141 Cb 0.50 -0.90 -0.08 0.00 -0.02 0.00 0.00 31.44 30.93 1non n GLU 141 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1non s LEU 142 N -0.72 1.64 -1.08 -4.62 1.43 -1.16 -4.99 118.68 109.18 1non s LEU 142 Ca 0.00 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.32 1non s LEU 142 Cb 0.00 0.85 -0.13 0.00 0.03 0.00 0.00 46.19 46.94 1non s LEU 142 CO 0.00 -0.68 3.13 -0.81 0.23 0.00 0.00 176.35 178.22 1non n PRO 143 N 0.05 3.20 -4.99 1.29 -0.04 -1.26 -4.87 135.00 128.38 1non n PRO 143 Ca -0.15 -1.91 -0.32 0.00 -0.04 0.00 0.00 63.50 61.07 1non n PRO 143 Cb 0.62 -2.53 -0.16 0.00 -0.04 0.00 0.00 33.50 31.39 1non n PRO 143 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1non s ILE 144 N 1.51 2.58 0.01 0.52 1.01 -1.26 -5.12 121.20 120.45 1non s ILE 144 Ca 0.68 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1non s ILE 144 Cb 0.23 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1non s ILE 144 CO -0.05 0.54 -0.10 -0.13 0.00 0.00 0.00 174.94 175.20 1non s ARG 145 N 0.27 0.78 0.38 2.79 1.81 -1.26 -4.95 118.95 118.77 1non s ARG 145 Ca -0.13 -0.49 -0.25 0.00 -1.72 0.00 0.00 55.73 53.14 1non s ARG 145 Cb -0.16 -0.74 -0.09 0.00 -0.45 0.00 0.00 34.95 33.51 1non s ARG 145 CO 0.07 0.19 1.11 0.00 -0.68 0.00 0.00 175.30 175.99 1non s ALA 146 N -0.51 3.17 0.10 2.13 0.00 -1.26 -4.84 121.76 120.54 1non s ALA 146 Ca 0.02 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1non s ALA 146 Cb -0.05 -3.33 -0.24 0.00 0.00 0.00 0.00 23.12 19.50 1non s ALA 146 CO 0.00 -0.34 1.20 -0.44 0.00 0.00 0.00 175.76 176.17 1non h ASP 147 N 2.78 0.14 -3.63 0.00 3.32 -0.78 -3.45 116.42 114.81 1non h ASP 147 Ca -0.48 -0.16 -0.50 0.00 0.02 0.00 0.00 57.03 55.90 1non h ASP 147 Cb 1.22 -0.05 -0.32 0.00 0.22 0.00 0.00 39.33 40.40 1non h ASP 147 CO 0.63 1.13 -0.81 -0.36 -1.72 0.00 0.00 179.24 178.10 1non s PHE 148 N -2.69 1.38 -0.07 4.55 0.40 -0.62 -5.02 117.98 115.92 1non s PHE 148 Ca -0.01 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1non s PHE 148 Cb 0.09 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.65 1non s PHE 148 CO 0.84 -0.21 -0.08 0.08 0.70 0.00 0.00 175.22 176.56 1non s VAL 149 N 0.41 0.86 0.07 -0.44 1.01 -1.26 -1.51 120.40 119.54 1non s VAL 149 Ca -0.09 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 1non s VAL 149 Cb -0.13 -0.85 -0.11 0.00 0.00 0.00 0.00 36.38 35.29 1non s VAL 149 CO 0.02 0.31 1.54 1.23 0.00 0.00 0.00 175.10 178.21 1non h GLY 150 N 7.40 0.31 -5.27 4.51 0.00 0.18 -3.46 103.07 106.74 1non h GLY 150 Ca -0.32 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 46.83 1non h GLY 150 CO 0.44 0.19 0.31 1.25 0.00 0.00 0.00 176.54 178.74 1non s LYS 151 N -5.19 0.63 -0.20 4.80 2.20 0.24 -4.90 119.74 117.32 1non s LYS 151 Ca -0.14 0.78 -0.21 0.00 -0.36 0.00 0.00 55.97 56.04 1non s LYS 151 Cb 0.06 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1non s LYS 151 CO 0.72 -0.08 0.63 -0.80 -0.36 0.00 0.00 175.35 175.45 1non s ASN 152 N 0.43 6.69 -0.33 1.43 -0.87 -1.26 -1.81 114.94 119.21 1non s ASN 152 Ca 0.01 0.83 0.02 0.00 -1.57 0.00 0.00 52.86 52.15 1non s ASN 152 Cb -0.05 -2.35 0.09 0.00 -0.02 0.00 0.00 41.25 38.92 1non s ASN 152 CO -0.05 -0.27 0.03 -0.69 -2.57 0.00 0.00 177.10 173.56 1non s VAL 153 N 1.88 2.54 0.35 1.60 1.01 -0.21 -4.94 120.40 122.63 1non s VAL 153 Ca 0.29 -1.99 -0.28 0.00 0.00 0.00 0.00 61.98 59.99 1non s VAL 153 Cb -0.16 -2.71 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 1non s VAL 153 CO 0.10 -0.41 1.36 -2.16 0.00 0.00 0.00 175.10 173.98 1non s PRO 154 N 1.04 4.24 0.05 2.72 0.04 -1.26 -4.22 135.00 137.61 1non s PRO 154 Ca 0.04 2.31 -0.06 0.00 0.04 0.00 0.00 61.00 63.33 1non s PRO 154 Cb -0.20 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 1non s PRO 154 CO -0.06 -0.32 0.10 0.95 0.04 0.00 0.00 177.00 177.72 1non s THR 155 N -1.15 0.15 0.84 1.26 -4.23 -1.26 -5.08 115.64 106.16 1non s THR 155 Ca 0.51 -1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 59.70 1non s THR 155 Cb -0.41 -1.09 0.13 0.00 1.34 0.00 0.00 72.50 72.47 1non s THR 155 CO 0.55 -0.67 1.18 -0.94 -0.54 0.00 0.00 174.62 174.20 1non s SER 156 N -2.40 3.95 0.36 3.99 1.04 -1.26 -4.96 113.70 114.41 1non s SER 156 Ca -0.01 0.32 0.17 0.00 0.48 0.00 0.00 55.95 56.90 1non s SER 156 Cb 0.02 -0.63 0.65 0.00 0.10 0.00 0.00 66.02 66.16 1non s SER 156 CO -0.07 -2.19 1.74 -0.09 0.98 0.00 0.00 173.24 173.61 1non h ARG 157 N -1.13 0.00 0.00 4.02 9.65 -2.01 -3.22 114.38 121.68 1non h ARG 157 Ca -0.44 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.37 1non h ARG 157 Cb 1.28 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.84 1non h ARG 157 CO 0.49 0.42 -1.00 0.77 2.80 0.00 0.00 179.97 183.45 1non h SER 158 N 0.00 0.00 -4.27 -3.80 0.02 -1.99 -3.47 113.55 100.04 1non h SER 158 Ca -0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1non h SER 158 Cb 0.88 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.56 1non h SER 158 CO 0.05 0.27 0.32 -1.61 -1.14 0.00 0.00 176.83 174.72 1non s GLU 159 N -3.14 2.11 0.03 3.45 2.02 -1.22 -4.76 118.70 117.19 1non s GLU 159 Ca -0.00 1.34 0.08 0.00 0.02 0.00 0.00 54.97 56.40 1non s GLU 159 Cb 0.09 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 1non s GLU 159 CO 0.78 -1.78 -0.23 -0.51 0.02 0.00 0.00 175.26 173.55 1non s LEU 160 N -5.79 2.35 -0.22 1.80 1.43 0.61 -4.87 118.68 113.98 1non s LEU 160 Ca 0.64 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1non s LEU 160 Cb -0.20 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1non s LEU 160 CO 0.53 0.27 0.07 -0.63 0.23 0.00 0.00 176.35 176.82 1non s ILE 161 N -0.81 4.48 -0.21 -0.59 -1.09 -1.26 -0.23 121.20 121.49 1non s ILE 161 Ca 0.12 -0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1non s ILE 161 Cb -0.10 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1non s ILE 161 CO 0.03 0.38 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.35 1non s VAL 162 N 1.13 3.02 -0.27 2.92 1.01 -0.29 -4.99 120.40 122.94 1non s VAL 162 Ca 0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1non s VAL 162 Cb -0.14 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1non s VAL 162 CO 0.03 0.43 0.06 -0.69 0.00 0.00 0.00 175.10 174.93 1non s VAL 163 N 1.42 3.99 -0.15 2.92 1.01 -1.26 -1.49 120.40 126.84 1non s VAL 163 Ca 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1non s VAL 163 Cb -0.14 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1non s VAL 163 CO -0.06 0.22 -0.04 -1.61 0.00 0.00 0.00 175.10 173.61 1non s GLU 164 N 1.54 3.60 -0.03 2.72 2.02 0.78 -5.00 118.70 124.33 1non s GLU 164 Ca 0.04 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.58 1non s GLU 164 Cb -0.16 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 1non s GLU 164 CO 0.02 0.29 -0.22 -0.51 0.02 0.00 0.00 175.26 174.86 1non s LEU 165 N 0.24 2.02 0.36 1.80 1.43 -0.90 -0.99 118.68 122.64 1non s LEU 165 Ca -0.02 -0.41 0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1non s LEU 165 Cb -0.14 -1.15 1.01 0.00 0.03 0.00 0.00 46.19 45.94 1non s LEU 165 CO 0.03 0.24 1.74 0.77 0.23 0.00 0.00 176.35 179.35 1non h SER 166 N 5.83 0.56 0.20 2.29 4.64 -1.69 0.66 113.55 126.05 1non h SER 166 Ca -0.37 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1non h SER 166 Cb 1.15 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1non h SER 166 CO 0.48 0.07 -0.05 -0.33 -0.87 0.00 0.00 176.83 176.12 1non h GLU 167 N 0.47 0.00 0.00 4.77 3.07 -1.93 -2.58 114.58 118.39 1non h GLU 167 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 1non h GLU 167 Cb 1.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 1non h GLU 167 CO -0.41 0.05 -0.77 0.28 -1.40 0.00 0.00 179.01 176.75 1non n VAL 168 N -3.61 0.00 0.17 3.13 0.31 -0.16 -4.83 118.33 113.34 1non n VAL 168 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1non n VAL 168 Cb 0.16 -0.51 0.03 0.00 -0.91 0.00 0.00 33.84 32.61 1non n VAL 168 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1non n ASP 169 N -1.55 1.60 0.00 4.52 8.00 0.21 -4.97 116.55 124.36 1non n ASP 169 Ca 0.00 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1non n ASP 169 Cb 0.30 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1non n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1non n GLY 170 N 0.24 2.62 3.33 0.44 0.00 -0.97 -4.90 105.19 105.95 1non n GLY 170 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1non n GLY 170 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1non s ILE 171 N -2.72 0.06 -0.32 -0.61 -4.36 -1.26 -4.73 121.20 107.26 1non s ILE 171 Ca 0.00 -0.50 -0.12 0.00 -0.26 0.00 0.00 60.65 59.77 1non s ILE 171 Cb 0.00 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.60 1non s ILE 171 CO 0.00 -0.27 0.21 -1.81 0.24 0.00 0.00 174.94 173.31 1non s ASP 172 N -2.53 5.96 -0.26 4.36 1.01 -1.25 -2.00 116.67 121.97 1non s ASP 172 Ca 0.00 -0.34 -0.26 0.00 0.71 0.00 0.00 52.55 52.65 1non s ASP 172 Cb 0.01 -2.11 0.14 0.00 1.01 0.00 0.00 42.92 41.96 1non s ASP 172 CO -0.09 -0.19 1.10 -1.58 0.21 0.00 0.00 175.17 174.63 1non s GLN 173 N 1.71 0.44 -0.10 8.23 0.74 -0.16 -2.41 119.66 128.11 1non s GLN 173 Ca 0.06 0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.89 1non s GLN 173 Cb -0.17 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.16 1non s GLN 173 CO 0.10 -0.08 -0.21 0.08 -0.55 0.00 0.00 175.29 174.63 1non s VAL 174 N -0.17 1.86 0.13 1.34 1.01 0.26 -0.16 120.40 124.68 1non s VAL 174 Ca 0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1non s VAL 174 Cb -0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1non s VAL 174 CO -0.06 0.51 0.05 -0.94 0.00 0.00 0.00 175.10 174.67 1non s SER 175 N 0.51 0.33 -0.19 3.32 1.04 -0.55 0.19 113.70 118.34 1non s SER 175 Ca -0.16 -1.20 -0.05 0.00 0.48 0.00 0.00 55.95 55.02 1non s SER 175 Cb -0.17 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1non s SER 175 CO 0.06 -0.72 0.00 -0.63 0.98 0.00 0.00 173.24 172.93 1non s ILE 176 N -4.04 4.07 0.27 -1.02 1.01 0.77 -1.14 121.20 121.13 1non s ILE 176 Ca 0.23 -0.28 0.10 0.00 0.00 0.00 0.00 60.65 60.71 1non s ILE 176 Cb 0.07 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1non s ILE 176 CO 0.01 0.44 -0.07 -1.00 0.00 0.00 0.00 174.94 174.33 1non s HIS 177 N 0.80 2.56 0.04 3.97 3.76 0.68 0.11 115.29 127.21 1non s HIS 177 Ca 0.01 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1non s HIS 177 Cb -0.14 -1.14 -0.02 0.00 1.11 0.00 0.00 32.58 32.39 1non s HIS 177 CO 0.02 0.65 -0.10 -2.00 -0.85 0.00 0.00 174.74 172.45 1non s GLU 178 N -3.62 0.68 0.00 1.40 2.12 -1.05 -0.29 118.70 117.94 1non s GLU 178 Ca 0.31 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1non s GLU 178 Cb -0.06 -0.59 0.00 0.00 0.26 0.00 0.00 34.13 33.74 1non s GLU 178 CO 0.18 0.14 0.00 1.17 -0.54 0.00 0.00 175.26 176.21